2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C14H17N3O3 — CID 81179560

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc3oc(=O)[nH]c3c2)CCC1
InChIInChI=1S/C14H17N3O3/c15-8-14(4-1-5-14)7-12(18)16-9-2-3-11-10(6-9)17-13(19)20-11/h2-3,6H,1,4-5,7-8,15H2,(H,16,18)(H,17,19)
InChIKeyDJWVQZSDVHSZDG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 81179560) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID81179560
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc3oc(=O)[nH]c3c2)CCC1
InChIInChI=1S/C14H17N3O3/c15-8-14(4-1-5-14)7-12(18)16-9-2-3-11-10(6-9)17-13(19)20-11/h2-3,6H,1,4-5,7-8,15H2,(H,16,18)(H,17,19)
InChIKeyDJWVQZSDVHSZDG-UHFFFAOYSA-N
XLogP1.58
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 81179560) is 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is NCC1(CC(=O)Nc2ccc3oc(=O)[nH]c3c2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is DJWVQZSDVHSZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-8-14(4-1-5-14)7-12(18)16-9-2-3-11-10(6-9)17-13(19)20-11/h2-3,6H,1,4-5,7-8,15H2,(H,16,18)(H,17,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 81179560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).